8P0L
Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-15 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9159 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 101.499, 101.499, 284.617 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 95.785 - 2.500 |
Rwork | 0.216 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.446 |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 284.620 | 284.620 | 2.580 |
High resolution limit [Å] | 2.500 | 10.310 | 2.500 |
Rmerge | 0.101 | 0.032 | 0.840 |
Rmeas | 0.108 | 0.035 | 0.892 |
Rpim | 0.037 | 0.012 | 0.300 |
Number of reflections | 52629 | 52629 | 4489 |
<I/σ(I)> | 14.4 | ||
Completeness [%] | 100.0 | ||
Redundancy | 15.7 | 13.3 | 16.5 |
CC(1/2) | 0.999 | 1.000 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.14 - 0.2 M triammonium citrate pH 7.5, 16-20 % PEG 3350 |